HRID92646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID117326

1-Propanol, 3-amino-2,2-dimethyl-

C5H13NO

结构：Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1

HCID68544179

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(Cn2c(C(=O)NCC(C)(C)CO)cc3cc(Cl)ccc32)c1

HCID59205407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17eb84b0b2b848c6973f675ae9c3a865
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

[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[Cl:24][c:25]1[cH:26][c:27]2[cH:28][c:29]([C:42](=[O:43])[OH:44])[n:30]([CH2:34][c:35]3[cH:36][c:37]([CH3:41])[cH:38][cH:39][cH:40]3)[c:31]2[cH:32][cH:33]1.[Cl:52][CH2:53][Cl:54].[ClH:1].[NH2:45][CH2:46][C:47]([CH2:48][OH:49])([CH3:50])[CH3:51].[OH2:13].[OH2:55].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[Cl:24][c:25]1[cH:26][c:27]2[cH:28][c:29]([C:42](=[O:43])[NH:45][CH2:46][C:47]([CH2:48][OH:49])([CH3:50])[CH3:51])[n:30]([CH2:34][c:35]3[cH:36][c:37]([CH3:41])[cH:38][cH:39][cH:40]3)[c:31]2[cH:32][cH:33]1