HRID93542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccn5c(C6CC6)nnc5c4cc3-c3ccccc3)cc2)CCC1

HCID57805465

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC1(c2ccc(-c3nc4ccn5c(C6CC6)nnc5c4cc3-c3ccccc3)cc2)CCC1

HCID24964988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a1a645b8ae845d4824ed0e711bf5f29
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

[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:48][OH:49].[CH:1]1([c:4]2[n:5][n:6][c:7]3[c:8]4[cH:9][c:10](-[c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:11](-[c:17]5[cH:18][cH:19][c:20]([C:23]6([NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:24][CH2:25][CH2:26]6)[cH:21][cH:22]5)[n:12][c:13]4[cH:14][cH:15][n:16]23)[CH2:2][CH2:3]1.[Cl:50][CH2:51][Cl:52].[ClH:41]>>[CH:1]1([c:4]2[n:5][n:6][c:7]3[c:8]4[cH:9][c:10](-[c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:11](-[c:17]5[cH:18][cH:19][c:20]([C:23]6([NH2:27])[CH2:24][CH2:25][CH2:26]6)[cH:21][cH:22]5)[n:12][c:13]4[cH:14][cH:15][n:16]23)[CH2:2][CH2:3]1.[ClH:41]