HRID810902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID774

Histamine

C5H9N3

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1cc(S(=O)(=O)c2cnc(Cl)c(Br)c2)c(SC)s1

HCID21057179

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(S(=O)(=O)c2cnc(NCCc3cnc[nH]3)c(Br)c2)c(SC)s1

HCID69586432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d69d6d2f439c4757b4d8d83a8bc2aef3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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