HRID293893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID88713

1,3-Benzodioxole, 5-(chloromethyl)-

C8H7ClO2

结构：O=c1nc(NC2CC3CCC(C2)N3)c2cc(Cl)ccc2n1CC(F)(F)F

HCID22348069

未命名化合物

PRODUCTS

生成物

结构：O=c1nc(NC2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1CC(F)(F)F

HCID10075375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2047a6b8bc6f469aa06c266339ea9188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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