HRID191779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID7917

Isopropyl chloroformate

C4H7ClO2

反应SMILES：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1

HCID57544434

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1

HCID25122525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-01d7711da96c46358b875ae0c3fede31
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

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