HRID1132077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID9526

Methyl trifluoromethanesulfonate

C2H3F3O3S

HCID21093501

2-Methyl-5,10-dihydro-4H-thieno[2,3-b][1,5]benzodiazepine-4-thione

C12H10N2S2

HCID21093659

未命名化合物

HCID21093660

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNC(CCc2ccsc2)C1

HCID136464475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-801e7062ddbd4eb4ae635da8d4ea65f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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