HRID101192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID237573

methyl 4-sulfanylbenzoate

C8H8O2S

结构：CC(C)(C)[Si](C)(C)OCc1c(CCBr)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1

HCID70160579

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(SCCc2c(CO[Si](C)(C)C(C)(C)C)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1

HCID70160847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4e7f7ba53474461a409fd7a1acea8f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([CH2:27][O:28][Si:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[CH3:35])[c:16]([CH2:24][CH2:25][Br:26])[c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]12.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:47].[SH:36][c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46]1>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([CH2:27][O:28][Si:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[CH3:35])[c:16]([CH2:24][CH2:25][S:36][c:37]2[cH:38][cH:39][c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46]2)[c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]12