HRID1201795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：CCOc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1

HCID3001126

Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-ethoxy-2,3-difluorophenyl)ethyl)-

C16H16BrF2N3OS

HCID10798122

未命名化合物

HCID22615140

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(F)c(F)c1CCNC(=O)Nc1ccc(Br)cn1

HCID22615117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d64393cdd644c97b16000cda9fa1cb7
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

[CH2:21]([O:23][c:22]1[cH:24][cH:25][c:26]([F:27])[c:28]([F:29])[c:30]1[CH2:31][CH2:32][NH2:33])[CH3:34].[CH2:35]([CH3:36])[O:37][c:38]1[c:39]([CH2:40][CH2:41][NH:42][C:43](=[S:44])[NH:45][c:46]2[n:47][cH:48][c:49]([Br:52])[cH:50][cH:51]2)[c:53]([F:58])[c:54]([F:57])[cH:55][cH:56]1.[O:59]=[C:60]1[N:61]([Br:62])[C:63](=[O:64])[CH2:65][CH2:66]1.[c:1]1([CH:2]2[CH2:3][CH:4]2[NH:5][C:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[cH:13][n:14]2)=[S:15])[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[O:23]=[C:43]([NH:42][CH2:41][CH2:40][c:39]1[c:38]([O:37][CH2:35][CH3:36])[cH:56][cH:55][c:54]([F:57])[c:53]1[F:58])[NH:45][c:46]1[n:47][cH:48][c:49]([Br:52])[cH:50][cH:51]1