HRID2158762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13062825

5,10-Dihydro-4H-pyrazolo[5,1-c][1,4]benzodiazepine

C11H11N3

结构：O=C(Cl)c1ccc(NC(=O)c2ccccc2-c2ccccc2)nc1

HCID22099792

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1

HCID21462557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d651e171de224a3fa89df25495113e9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[Cl:46][CH2:47][Cl:48].[OH2:49].[c:22]1(-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:23]([C:28](=[O:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([C:37](=[O:38])[Cl:39])[cH:35][n:36]2)[cH:24][cH:25][cH:26][cH:27]1.[n:1]1[cH:2][cH:3][c:4]2[n:10]1[CH2:9][c:8]1[c:7]([cH:14][cH:13][cH:12][cH:11]1)[NH:6][CH2:5]2>>[n:1]1[cH:2][cH:3][c:4]2[n:10]1[CH2:9][c:8]1[c:7]([cH:14][cH:13][cH:12][cH:11]1)[N:6]([C:37]([c:34]1[cH:33][cH:32][c:31]([NH:30][C:28]([c:23]3[c:22](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:27][cH:26][cH:25][cH:24]3)=[O:29])[n:36][cH:35]1)=[O:38])[CH2:5]2