HRID669840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID25134

Boron tribromide

BBr3

结构：COCCN1CCN(CC(=O)Nc2cc(Oc3ccc4c(c3)nc(Nc3cc(C(F)(F)F)ccc3F)n4C)ccn2)CC1

HCID59790020

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(NC(=O)CN4CCN(CCO)CC4)c3)ccc21

HCID59790212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cefd6a232f374898acfeeb92e09a1e1b
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

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