HRID122249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID7972

4-Methylmorpholine

C5H11NO

结构：CNC(=O)CNC(=O)c1ccc(C)c(-n2cnc(OCc3ccc(F)cc3F)c(Br)c2=O)c1

HCID21088996

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCCO)cc1-n1cnc(OCc2ccc(F)cc2F)c(Br)c1=O

HCID21088999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bac4f4f083964b1f98a88132428e440f
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

[Br:1][c:2]1[c:3]([O:24][CH2:25][c:26]2[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]2)[n:4][cH:5][n:6](-[c:9]2[cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[NH:18][CH3:19])[cH:20][cH:21][c:22]2[CH3:23])[c:7]1=[O:8].[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[NH2:34][CH2:35][CH2:36][OH:37]>>[Br:1][c:2]1[c:3]([O:24][CH2:25][c:26]2[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]2)[n:4][cH:5][n:6](-[c:9]2[cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][OH:17])[cH:20][cH:21][c:22]2[CH3:23])[c:7]1=[O:8]