HRID163675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8471

Triethylamine

C6H15N

HCID18670147

未命名化合物

PRODUCTS

产物

HCID18670605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-88e9b0fd4d1042bd8800c37b4fe79665
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH3:1][O:2][CH:3]([c:4]1[c:5]([O:24][CH3:25])[cH:6][c:7]([C:10]2([OH:23])[CH2:11][CH2:12][N:13]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1)[O:26][CH3:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[OH2:35].[OH2:47].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[O:2]=[CH:3][c:4]1[c:5]([O:24][CH3:25])[cH:6][c:7]([C:10]2([OH:23])[CH2:11][CH2:12][N:13]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1