HRID160599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID92743

2-Amino-1-(4-nitrophenyl)-1,3-propanediol

C9H12N2O4

HCID4129546

2-(2-Chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid

C15H14ClNO2S

PRODUCTS

生成物

HCID102971

2-Amino-1-phenyl-1,3-propanediol

C9H13NO2

HCID4129546

2-(2-Chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid

C15H14ClNO2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc3d2fddce0c426eb9f03488eb970a39
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

[CH:37]([OH:38])([CH3:39])[CH3:40].[Cl:2][c:3]1[c:4]([CH:9]([C:10](=[O:11])[OH:12])[N:13]2[CH2:14][c:15]3[c:16]([s:19][cH:20][cH:21]3)[CH2:17][CH2:18]2)[cH:5][cH:6][cH:7][cH:8]1.[NH2:22][CH:23]([CH:24]([OH:25])[c:26]1[cH:27][cH:28][c:29]([N+:32]([O-:33])=[O:34])[cH:30][cH:31]1)[CH2:35][OH:36].[OH2:1]>>[Cl:2][c:3]1[c:4]([CH:9]([C:10](=[O:11])[OH:12])[N:13]2[CH2:14][c:15]3[c:16]([s:19][cH:20][cH:21]3)[CH2:17][CH2:18]2)[cH:5][cH:6][cH:7][cH:8]1.[NH2:22][CH:23]([CH:24]([OH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:35][OH:36]