HRID685171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID18054

1-Phenylpropan-1-amine

C9H13N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CS(=O)(=O)Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

HCID57893571

未命名化合物

PRODUCTS

生成物

结构：CCC(NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1

HCID23649160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51b4ed431783458bae6c9df441af51c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]1[C:16](=[O:17])[OH:18].[CH3:36][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH2:35].[OH:25][n:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[n:33][n:34]1.[c:54]1([CH:60]([CH2:61][CH3:62])[NH2:63])[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]1[C:16](=[O:18])[NH:63][CH:60]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH2:61][CH3:62]