HRID311721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

5 次

结构：Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C

HCID1072

1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol

C17H20N4O6

HCID1117

Sulfate

O4S-2

HCID4784

Phenylmethanesulfonyl fluoride

C7H7FO2S

结构：O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]

HCID6254

Benzoic acid, 3,3'-dithiobis[6-nitro-

C14H8N2O8S2

HCID23978

Copper

HCID27099

Copper(2+)

Cu+2

结构：CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSNC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O

HCID178454818

未命名化合物

PRODUCTS

生成物

结构：CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS

HCID317

[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl 3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate

C21H36N7O16P3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-175136a5e05944f0a20c9f5889a03292
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH3:4])[cH:5][c:6]2[c:7]([n:8][c:9]3[c:10](=[O:11])[nH:12][c:13](=[O:14])[n:15][c:16]-3[n:17]2[CH2:18][CH:19]([CH:20]([CH:21]([CH2:22][OH:23])[OH:24])[OH:25])[OH:26])[cH:27]1.[Cu+2:143].[Cu:144].[N+:96]([c:97]1[cH:98][cH:99][c:100]([S:101][S:102][c:103]2[cH:104][cH:105][c:106]([N+:107]([O-:108])=[O:109])[c:110]([C:112]([OH:113])=[O:114])[cH:111]2)[cH:115][c:116]1[C:117]([OH:118])=[O:119])([O-:120])=[O:121].[NH:28]([CH:29]([CH2:30][CH2:31][C:32]([NH:33][CH:34]([C:35]([NH:36][CH2:37][C:38]([OH:39])=[O:40])=[O:41])[CH2:42][SH:43])=[O:44])[C:45]([OH:46])=[O:47])[S:48][CH2:49][CH2:50][NH:51][C:52]([CH2:53][CH2:54][NH:55][C:56]([CH:57]([C:58]([CH2:59][O:60][P:61]([O:62][P:63]([O:64][CH2:65][CH:66]1[CH:67]([O:82][P:83](=[O:84])([OH:85])[OH:86])[CH:68]([OH:81])[CH:69]([n:71]2[cH:72][n:73][c:74]3[c:75]([NH2:76])[n:77][cH:78][n:79][c:80]23)[O:70]1)(=[O:87])[OH:88])(=[O:89])[OH:90])([CH3:91])[CH3:92])[OH:93])=[O:94])=[O:95].[OH2:133].[OH2:134].[OH2:135].[OH2:136].[OH2:137].[S:138]([O-:139])([O-:140])(=[O:141])=[O:142].[c:122]1([CH2:123][S:124]([F:125])(=[O:126])=[O:127])[cH:128][cH:129][cH:130][cH:131][cH:132]1>>[SH:48][CH2:49][CH2:50][NH:51][C:52]([CH2:53][CH2:54][NH:55][C:56]([CH:57]([C:58]([CH2:59][O:60][P:61]([O:62][P:63]([O:64][CH2:65][CH:66]1[CH:67]([O:82][P:83](=[O:84])([OH:85])[OH:86])[CH:68]([OH:81])[CH:69]([n:71]2[cH:72][n:73][c:74]3[c:75]([NH2:76])[n:77][cH:78][n:79][c:80]23)[O:70]1)(=[O:87])[OH:88])(=[O:89])[OH:90])([CH3:91])[CH3:92])[OH:93])=[O:94])=[O:95]