HRID1558940

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)c1ccc(C)c(NC(=O)N(c2c3ccccc3nn2-c2ccc(Cl)cc2)C2CCCCC2)c1

HCID66905843

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)O)cc1NC(=O)N(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCCC1

HCID45111480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a395279533424a00ad807b2cf348cea2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:11][C:12](=[O:13])[N:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[n:22](-[c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[n:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[c:7]([CH3:10])[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[cH:5][c:6]([NH:11][C:12](=[O:13])[N:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[n:22](-[c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[n:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[c:7]([CH3:10])[cH:8][cH:9]1)[OH:37]