HRID1143871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID10129898

未命名化合物

HCID21949093

未命名化合物

HCID21949101

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCNC(=O)Nc1cc(Nc2ccc3c(ccn3C(=O)NC)c2)ccn1

HCID21054805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7645c3f3bd2b40b188510fb1a7571d44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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