HRID2129360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID20401

Indole-2-carboxylic acid, 5-methoxy-

C10H9NO3

HCID15637150

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2[nH]c(C(=O)NC3N=C(c4ccccc4F)c4ccccc4NC3=O)cc2c1

HCID14208235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6898aadbee2143dbbf0ea429364602eb
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

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