HRID1238827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1ccc(S(=O)(=O)n2cnc(CCN(Cc3ncc(C)cc3C)Cc3ncccc3C(C)C)c2)cc1

HCID67272747

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(CCc2c[nH]cn2)Cc2ncccc2C(C)C)c(C)c1

HCID178430552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80d470d2357943b6a64da2ab636ea29e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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