HRID210393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID12954114

1-Oxa-3,8-diazaspiro[4.5]decan-2-one

C7H12N2O2

结构：CN(c1cccc2cc(-c3ncc(CCl)s3)[nH]c12)S(=O)(=O)c1cccs1

HCID57475969

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccc2cc(-c3ncc(CN4CCC5(CC4)CNC(=O)O5)s3)[nH]c12)S(=O)(=O)c1cccs1

HCID59136125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-472cb45117184f459fe6c8a6d90b17af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:1][CH2:2][c:3]1[cH:4][n:5][c:6](-[c:8]2[nH:9][c:10]3[c:11]([N:17]([S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[CH3:26])[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[s:7]1.[O:34]1[C:35](=[O:44])[NH:36][CH2:37][C:38]12[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2.[OH2:50]>>[CH2:2]([c:3]1[cH:4][n:5][c:6](-[c:8]2[nH:9][c:10]3[c:11]([N:17]([S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[CH3:26])[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[s:7]1)[N:41]1[CH2:40][CH2:39][C:38]2([O:34][C:35](=[O:44])[NH:36][CH2:37]2)[CH2:43][CH2:42]1