HRID1123209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID28486

Lithium ion

Li+

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CCCN(C)C(=O)c1cc(C(=O)OC)cc(-c2nccs2)c1

HCID21086191

未命名化合物

结构：CCc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21865731

未命名化合物

PRODUCTS

生成物

结构：CCCN(C)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNCc2cccc(CC)c2)cc(-c2nccs2)c1

HCID178457419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cb05732d42b494e83bbf03b9a4fd3be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:8]([O:10][CH3:9])=[O:11])[cH:12][c:13](-[c:15]2[s:16][cH:17][cH:18][n:19]2)[cH:14]1)[CH2:20][CH2:21][CH3:22].[CH3:83][OH:84].[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[ClH:56].[ClH:57].[Li+:92].[NH2:58][CH:59]([CH:60]([CH2:61][NH:62][CH2:63][c:64]1[cH:65][c:66]([CH2:70][CH3:71])[cH:67][cH:68][cH:69]1)[OH:72])[CH2:73][c:74]1[cH:75][c:76]([F:81])[cH:77][c:78]([F:80])[cH:79]1.[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1.[OH-:91].[OH2:82].[OH2:90].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:8](=[O:10])[NH:58][CH:59]([CH:60]([CH2:61][NH:62][CH2:63][c:64]2[cH:65][c:66]([CH2:70][CH3:71])[cH:67][cH:68][cH:69]2)[OH:72])[CH2:73][c:74]2[cH:75][c:76]([F:81])[cH:77][c:78]([F:80])[cH:79]2)[cH:12][c:13](-[c:15]2[s:16][cH:17][cH:18][n:19]2)[cH:14]1)[CH2:20][CH2:21][CH3:22]