HRID98874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6371

Phosgene

CCl2O

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(C2CC2)N(C(=O)O)c2c(Br)cc(C(F)(F)F)cc21

HCID178502075

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(C2CC2)N(C(=O)OC(C)C)c2c(Br)cc(C(F)(F)F)cc21

HCID87953970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39fbbea72dc14cafab3f4f8c30cdc6d5
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

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