HRID198327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6329

Methylamine

CH5N

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N2CCCC2c2ccccc2OCCCCl)c1=O

HCID66689226

未命名化合物

PRODUCTS

产物

反应SMILES：CNCCCOc1ccccc1C1CCCN1c1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O

HCID66685834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-84ecc464f3b34925a416b387cb674ae9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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