HRID294692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

2 次

HCID6371

Phosgene

CCl2O

2 次

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)Cl)c2c(Br)cc(C(F)(F)F)cc21

HCID22394290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35f3db356c6543cd911356b14e858e57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:53]([Cl:54])([Cl:55])=[O:56].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:42][C:43](=[O:44])[Cl:45].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH:10]([CH:26]3[CH2:27][CH2:28]3)[N:11]([C:23](=[O:24])[OH:25])[c:12]3[c:13]([Br:22])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]32)[C:29](=[O:30])[O:31][CH3:32])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41].[c:46]1([CH3:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH:10]([CH:26]3[CH2:27][CH2:28]3)[N:11]([C:23](=[O:24])[Cl:42])[c:12]3[c:13]([Br:22])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]32)[C:29](=[O:30])[O:31][CH3:32])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41]