HRID1544241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

结构：O=S(=O)(Nc1cc(SC2COC(c3ccccc3)OC2)nc(SCc2cccc(F)c2F)n1)N1CCC1

HCID53628349

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(Nc1cc(SC(CO)CO)nc(SCc2cccc(F)c2F)n1)N1CCC1

HCID59558829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25bd69361a1946c2a48b30dbe74c8d88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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