HRID95628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID7237

o-Xylene

C8H10

HCID10328

Indoline

C8H9N

HCID178478272

未命名化合物

PRODUCTS

产物

HCID69213080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b27fcab41991472f86518bc693af1361
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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