HRID114866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID4628831

3-Aminobenzylamine

C7H10N2

结构：Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)cc1C

HCID16038471

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccc(N)c4)n3Cc3ccccc32)cc1C

HCID16038824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cae9064dffb4e60ab60821a9adc4b97
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

[CH3:46][S:47]([CH3:48])=[O:49].[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:34])[c:24](-[c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)([Cl:35])[Cl:36].[NH2:37][c:38]1[cH:39][c:40]([CH2:41][NH2:42])[cH:43][cH:44][cH:45]1.[OH2:50]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:34])[c:24](-[c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)[NH:42][CH2:41][c:40]1[cH:39][c:38]([NH2:37])[cH:45][cH:44][cH:43]1