HRID2154191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID25158607

未命名化合物

HCID68540496

未命名化合物

PRODUCTS

生成物

结构：CSc1cc(Cl)cc(C)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

HCID59347894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96909372736442b3aaa86c43178bf7c5
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

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