HRID199443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID7358

2-Ethyl-1-butanol

C6H14O

HCID8471

Triethylamine

C6H15N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1

HCID11360802

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)COC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1

HCID21897703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-389726cba7ae43d18803d2e8c19e990a
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

[CH2:13]([CH3:14])[CH:15]([CH2:16][OH:17])[CH2:18][CH3:19].[CH3:20][S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27](-[n:30]2[n:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[O:39][CH:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:28][cH:29]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][S:54]([CH3:55])=[O:56].[n:1]1([C:6]([n:2]2[cH:3][cH:4][n:5][cH:8]2)=[O:7])[cH:9][cH:10][n:11][cH:12]1>>[C:6](=[O:7])([O:17][CH2:16][CH:15]([CH2:13][CH3:14])[CH2:18][CH3:19])[N:43]1[CH2:42][CH2:41][CH:40]([O:39][c:38]2[c:33]3[cH:32][n:31][n:30](-[c:27]4[cH:26][cH:25][c:24]([S:21]([CH3:20])(=[O:22])=[O:23])[cH:29][cH:28]4)[c:34]3[n:35][cH:36][n:37]2)[CH2:45][CH2:44]1