HRID2327014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID1512594

(Piperidin-4-yl)acetic acid

C7H13NO2

结构：COc1nc(Cl)nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)n1

HCID86640783

未命名化合物

PRODUCTS

生成物

结构：COc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc(N2CCC(CC(=O)O)CC2)n1

HCID45274965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4276288aebb849d7a26321a561924f12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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