HRID1569851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8058

n-Hexane

C6H14

HCID1400243

2,3,4,5-Tetrahydro-1H-benzo[d]azepine

C10H13N

结构：COc1ccc(C2CCN(c3c(C)c(C)c4c(c3C)C(O)C(C)(C)O4)CC2)cc1OC

HCID67420698

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CCN(c3c(C)c(C)c4c(c3C)C(N3CCc5ccccc5CC3)C(C)(C)O4)CC2)cc1OC

HCID10209595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25b6e66db4d548028a0dcd85756e2274
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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