HRID2127920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID15547048

10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

C12H12N2

HCID21947711

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2ccccc2Cl)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21

HCID21947747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caed4759ed4b46898e80ffb1c587e497
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

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