HRID111726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID21131928

未命名化合物

结构：O=C(Cc1ccsc1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1

HCID57737204

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccsc1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(CNC(=O)C(F)(F)F)c3)n2)c1

HCID57737202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a73222d9707249be9dac8584706dd383
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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