HRID205083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

结构：O=C1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID22222375

未命名化合物

结构：O=C(O)Cn1cnc2c(=O)[nH]c(NC(=O)OCc3ccccc3)nc21

HCID135440633

1,6-Dihydro-6-oxo-2-[[(phenylmethoxy)carbonyl]amino]-9H-purine-9-acetic acid

C15H13N5O5

PRODUCTS

生成物

结构：O=C(Nc1nc2c(ncn2CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)C2)c(=O)[nH]1)OCc1ccccc1

HCID136377644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a58f8969e3d43a7a8e4d7b7687aae0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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