HRID669611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1118

Sulfuric acid

H2O4S

结构：O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID447905

(3-{3-[{[2-Chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)amino]propoxy}phenyl)acetic acid

C33H31ClF3NO3

PRODUCTS

生成物

结构：COC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID10188816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afbe029aba224cefa7d31a55edee15d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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