HRID113401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)c(Br)nc1C(F)(F)F

HCID86634708

未命名化合物

结构：O=C(NC1CCCCC1O)c1nc(-c2cccc(Cl)c2)c(OCC(F)(F)F)nc1C(F)(F)F

HCID178521983

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCCCC1O)c1nc(-c2ccc(Cl)c(Cl)c2)c(OCC(F)(F)F)nc1C(F)(F)F

HCID178521987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25d325047e9740b8a45b1c8054b1d5d7
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

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