HRID2130911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1567

2-Mercaptoethanol

C2H6OS

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：O=S(=O)(c1ccc(C(CC2CCOCC2)c2ccc(-c3ccc(Br)cn3)[nH]2)cc1)C1CC1

HCID59331248

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(C(CC2CCOCC2)c2ccc(-c3ccc(SCCO)cn3)[nH]2)cc1)C1CC1

HCID59331330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7aff4d4581a242e9984dd820dd910e41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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