HRID1117974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID82693

5-Chloroindole-2-carboxylate

C9H6ClNO2

HCID68604200

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(NC(=O)OC(C)(C)C)C1

HCID68590514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41903f38bfdd44d0bdc1ece1d12d2051
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH:10]([NH2:20])[CH2:11][CH2:12][CH:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:14]1.[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH3:56].[Cl:21][c:22]1[cH:23][c:24]2[cH:25][c:26]([C:31](=[O:32])[OH:33])[nH:27][c:28]2[cH:29][cH:30]1.[Cl:58][CH2:59][Cl:60].[ClH:45].[ClH:57].[OH2:34].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH:10]([NH:20][C:31]([c:26]2[cH:25][c:24]3[cH:23][c:22]([Cl:21])[cH:30][cH:29][c:28]3[nH:27]2)=[O:32])[CH2:11][CH2:12][CH:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:14]1