HRID141843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID23939

Platinum

结构：O=C(O)Cc1c([N+](=O)[O-])ccc2c1OC(CNCc1ccccc1)CO2

HCID59456464

未命名化合物

PRODUCTS

生成物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID9910325

2-[(Benzylamino)methyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one

C18H18N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-692e0b314fa04101acec8c66056240d2
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][CH:10]1[O:11][c:12]2[c:13]([cH:16][cH:17][c:18]([N+:24]([O-:23])=[O:25])[c:19]2[CH2:20][C:21](=[O:22])[OH:26])[O:14][CH2:15]1.[CH3:40][OH:41].[OH2:27].[Pt:39].[c:28]1([CH3:38])[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[OH:37])[cH:32][cH:33]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][CH:10]1[O:11][c:12]2[c:13]([cH:16][cH:17][c:18]3[c:19]2[CH2:20][C:21](=[O:22])[NH:24]3)[O:14][CH2:15]1.[c:28]1([CH3:38])[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[OH:37])[cH:32][cH:33]1