HRID201535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID665568

4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole

C7H13N3S

HCID19762518

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]cnc1CSCCNC(=O)NCCN(C)CCC(c1ccc(Cl)cc1)c1ccccn1

HCID19762510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c882a047ef54ebf8388ba489110ed36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:22](=[O:23])([n:24]1[cH:25][cH:26][n:27][cH:28]1)[n:29]1[cH:30][cH:31][n:32][cH:33]1.[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH3:34][c:35]1[c:36]([CH2:40][S:41][CH2:42][CH2:43][NH2:44])[n:37][cH:38][nH:39]1.[CH3:45][OH:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][NH2:14])[CH3:15])[c:16]2[n:17][cH:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][NH:14][C:22](=[O:23])[NH:44][CH2:43][CH2:42][S:41][CH2:40][c:36]2[c:35]([CH3:34])[nH:39][cH:38][n:37]2)[CH3:15])[c:16]2[n:17][cH:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7]1