HRID97841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

结构：Cn1c(C2OCCO2)cnc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

HCID22609737

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C=O)cnc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

HCID22609820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-854562cce102453fbb7ea6aa0a8770ff
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

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