HRID1234250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：Fc1ccc(-n2ncnc2-c2cc3c(s2)-c2nc(-c4ccc(F)nc4)ccc2OCC3)c(F)c1

HCID58204079

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(-c2ccc3c(n2)-c2sc(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)cn1

HCID58204056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c527af6d19034782a8020ef03069a649
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

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