HRID301850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11484214

Dibenzyl chloromethyl phosphate

C15H16ClO4P

结构：CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CN(CCCC(C)C(=O)O)[SH](=O)=O)c(C3CC3)cc12

HCID178485235

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CN(CCCC(C)C(=O)OCOP(=O)(OCc3ccccc3)OCc3ccccc3)[SH](=O)=O)c(C3CC3)cc12

HCID178485233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aebd99f8a49d48aeb5f1b935ac8c02e7
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

[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([n:8][c:9]2[CH2:10][N:11]([SH:12](=[O:13])=[O:14])[CH2:15][CH2:16][CH2:17][CH:18]([C:19](=[O:20])[OH:21])[CH3:22])[o:23][c:24](-[c:30]2[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]2)[c:25]3[C:26]([NH:27][CH3:28])=[O:29])[CH2:2][CH2:3]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:58].[P:37](=[O:38])([O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)([O:47][CH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[O:55][CH2:56][Cl:57]>>[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([n:8][c:9]2[CH2:10][N:11]([SH:12](=[O:13])=[O:14])[CH2:15][CH2:16][CH2:17][CH:18]([C:19](=[O:20])[O:21][CH2:56][O:55][P:37](=[O:38])([O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[O:47][CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[CH3:22])[o:23][c:24](-[c:30]2[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]2)[c:25]3[C:26]([NH:27][CH3:28])=[O:29])[CH2:2][CH2:3]1