HRID91913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID7504

Benzylamine

C7H9N

结构：CC1(C)CC(C(O)CNc2nc(Cl)nc(NCC(O)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1

HCID86738304

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(C(O)CNc2nc(NCc3ccccc3)nc(NCC(O)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1

HCID70546830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91a7fd9c201447e2af592d7a6f81eb90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[NH2:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[NH3:44].[OH:1][CH:2]([CH2:3][NH:4][c:5]1[n:6][c:7]([Cl:25])[n:8][c:9]([NH:11][CH2:12][CH:13]([OH:14])[CH:15]2[CH2:16][C:17]([CH3:23])([CH3:24])[NH:18][C:19]([CH3:21])([CH3:22])[CH2:20]2)[n:10]1)[CH:26]1[CH2:27][C:28]([CH3:34])([CH3:35])[NH:29][C:30]([CH3:32])([CH3:33])[CH2:31]1>>[OH:1][CH:2]([CH2:3][NH:4][c:5]1[n:6][c:7]([NH:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[n:8][c:9]([NH:11][CH2:12][CH:13]([OH:14])[CH:15]2[CH2:16][C:17]([CH3:23])([CH3:24])[NH:18][C:19]([CH3:21])([CH3:22])[CH2:20]2)[n:10]1)[CH:26]1[CH2:27][C:28]([CH3:34])([CH3:35])[NH:29][C:30]([CH3:32])([CH3:33])[CH2:31]1