HRID1201806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID3519882

4-Chloro-3-(trifluoromethyl)phenylacetic acid

C9H6ClF3O2

HCID68769131

未命名化合物

PRODUCTS

产物

HCID86647654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-36a1c4eff81e4f54add1e2c5aafb1ce5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH3:48][OH:49].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[NH2:16][c:17]1[c:18]2[cH:19][cH:20][n:21]([CH2:28][c:29]3[cH:30][n:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[c:22](=[O:27])[c:23]2[cH:24][cH:25][cH:26]1.[S:50]([Cl:51])([Cl:52])=[O:53]>>[Cl:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([CH2:8][C:9](=[O:11])[NH:16][c:17]2[c:18]3[cH:19][cH:20][n:21]([CH2:28][c:29]4[cH:30][n:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]4)[c:22](=[O:27])[c:23]3[cH:24][cH:25][cH:26]2)[cH:6][cH:7]1