HRID2157964

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(-c3nc4ccc5nnc(-c6cnccn6)n5c4nc3-c3ccccc3)cc2)CCC1

HCID57805478

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC1(c2ccc(-c3nc4ccc5nnc(-c6cnccn6)n5c4nc3-c3ccccc3)cc2)CCC1

HCID57805452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-308caf8d67be4e00ad8782c8a46e9d5f
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

[CH3:2][CH2:3][O:4][C:5]([CH3:6])=[O:7].[CH3:51][OH:52].[Cl:53][CH2:54][Cl:55].[ClH:1].[c:8]1(-[c:14]2[c:15](-[c:33]3[cH:34][cH:35][c:36]([C:39]4([NH:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:40][CH2:41][CH2:42]4)[cH:37][cH:38]3)[n:16][c:17]3[c:18]([n:19]2)[n:20]2[c:21]([cH:22][cH:23]3)[n:24][n:25][c:26]2-[c:27]2[n:28][cH:29][cH:30][n:31][cH:32]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[ClH:1].[c:8]1(-[c:14]2[c:15](-[c:33]3[cH:34][cH:35][c:36]([C:39]4([NH2:43])[CH2:40][CH2:41][CH2:42]4)[cH:37][cH:38]3)[n:16][c:17]3[c:18]([n:19]2)[n:20]2[c:21]([cH:22][cH:23]3)[n:24][n:25][c:26]2-[c:27]2[n:28][cH:29][cH:30][n:31][cH:32]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1