HRID2312628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID4351123

未命名化合物

结构：O=C(O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

HCID66864534

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)C(=O)OC(C)(C)C

HCID66863913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4160a9bef1d43288c21d93ba7a346a1
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

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