HRID2349373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID12798265

Morpholine-4-sulfonyl chloride

C4H8ClNO3S

结构：CC(=O)c1c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

HCID66737988

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1c(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

HCID67494528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01e8e924c9c54c7a8400e4aceed6c40a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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