HRID681558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID7918

Acetic anhydride

C4H6O3

结构：CCn1c(C)c(C(=O)c2ncccc2C(=O)O)c2ccccc21

HCID112344

3-Pyridinecarboxylic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-

C18H16N2O3

HCID12747344

未命名化合物

PRODUCTS

生成物

结构：CCn1c(C)c(C2(c3c(-c4ccccc4)c(-c4ccccc4)c4ccccn34)OC(=O)c3cccnc32)c2ccccc21

HCID20536954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fee3e772fa348b6a759a8c27e295423
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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