HRID1209306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID196621

Bis(benzyloxy)(diisopropylamino)phosphine

C20H28NO2P

结构：COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC(C)(C)O

HCID16718619

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC(C)(C)OP(=O)(OCc1ccccc1)OCc1ccccc1

HCID58858116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eb962c972fd427db3555169ce4b6b12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH:37]([N:38]([CH:39]([CH3:40])[CH3:58])[P:41]([O:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[O:50][CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)([CH3:59])[CH3:60].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11][cH:12][n:13](-[c:18]4[cH:19][c:20]([O:30][CH3:31])[c:21]([O:24][CH2:25][C:26]([CH3:27])([CH3:28])[OH:29])[cH:22][cH:23]4)[c:14](=[O:17])[c:15]3[s:16]2)[cH:6][cH:7]1.[Cl:64][CH2:65][Cl:66].[OH2:63].[OH:61][OH:62].[nH:32]1[cH:33][n:34][cH:35][n:36]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11][cH:12][n:13](-[c:18]4[cH:19][c:20]([O:30][CH3:31])[c:21]([O:24][CH2:25][C:26]([CH3:27])([CH3:28])[O:29][P:41]([O:42][CH2:43][c:44]5[cH:45][cH:46][cH:47][cH:48][cH:49]5)([O:50][CH2:51][c:52]5[cH:53][cH:54][cH:55][cH:56][cH:57]5)=[O:61])[cH:22][cH:23]4)[c:14](=[O:17])[c:15]3[s:16]2)[cH:6][cH:7]1