HRID116532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID108700

1-Nonanol, 9-bromo-

C9H19BrO

结构：O=C(c1csc(-c2ccccc2)n1)N1CCOC2(CCNCC2)C1

HCID57989130

未命名化合物

PRODUCTS

生成物

结构：O=C(c1csc(-c2ccccc2)n1)N1CCOC2(CCN(CCCCCCCCCO)CC2)C1

HCID57989356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-865875cc47e444d9a551729253e1572a
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

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