HRID181039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：O=C(O)CN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21

HCID69427552

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21)OCc1ccccc1

HCID86602390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-448e8ad1c6854b308531600c423c1604
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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