HRID152208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID12951527

2-{[(3-Bromopyridin-2-yl)methyl]sulfanyl}ethan-1-amine

C8H11BrN2S

结构：O=C(NC(=NCCSCc1ncccc1Br)NCCSCc1ncccc1Br)c1ccccc1

HCID54262795

未命名化合物

PRODUCTS

生成物

HCID178512223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e314d1bc0f741ca834acece6a6bc3e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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