HRID2129017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7498

alpha-Bromotoluene

C7H7Br

结构：COc1ccc(N(Cc2cn[nH]c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1

HCID59597415

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(Cc2cnn(Cc3ccccc3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1

HCID67183702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2db6d337bff548fab82e080ce6ce5715
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:37][CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]2[c:16]([cH:17][cH:18][cH:19]1)[CH:15]([C:20](=[O:21])[N:22]([CH2:23][c:24]1[cH:25][n:26][nH:27][cH:28]1)[c:29]1[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]1)[CH2:14][CH2:13][CH2:12]2.[ClH:1]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]2[c:16]([cH:17][cH:18][cH:19]1)[CH:15]([C:20](=[O:21])[N:22]([CH2:23][c:24]1[cH:25][n:26][n:27]([CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:28]1)[c:29]1[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]1)[CH2:14][CH2:13][CH2:12]2