HRID2157197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID5360545

Sodium

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCOS(C)(=O)=O)cc2)C(OCc2ccc3ccccc3c2)C1

HCID86604409

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCn3cncn3)cc2)C(OCc2ccc3ccccc3c2)C1

HCID53745200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62174cbe3cca4e37b05672a483bb5290
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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