HRID112811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8900

Heptane

C7H16

HCID28486

Lithium ion

Li+

结构：COC(=O)c1cccc(NC(=O)N(c2c3ccccc3nn2-c2ccc(Cl)cc2)C2CCCCC2)c1C

HCID66905640

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)N(c2c3ccccc3nn2-c2ccc(Cl)cc2)C2CCCCC2)cccc1C(=O)O

HCID45111179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f75845b839b7495b9428bceb5eeb5f62
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

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