HRID290288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CC(C)C(NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID69517950

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID22238798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17169b4bf55b400f92a0230e1ee3b2b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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