HRID1145541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID4961259

2-(1H-pyrrol-1-yl)benzaldehyde

C11H9NO

HCID58006203

未命名化合物

HCID67027548

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCNc1nc(NC2CCN(Cc3ccccc3-n3cccc3)CC2)c2ccccc2n1

HCID58006140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edb35b9436144682a8c249d2e8a316ec
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

[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][NH:7][c:8]1[n:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[c:16]([NH:18][CH:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[n:17]1)[CH2:25][CH3:26].[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][NH:33][c:34]1[n:35][c:36]([NH:37][CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50]1.[CH3:64][OH:65].[n:51]1(-[c:56]2[c:57]([CH:58]=[O:59])[cH:60][cH:61][cH:62][cH:63]2)[cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][NH:7][c:8]1[n:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[c:16]([NH:18][CH:19]2[CH2:20][CH2:21][N:22]([CH2:58][c:57]3[c:56](-[n:51]4[cH:52][cH:53][cH:54][cH:55]4)[cH:63][cH:62][cH:61][cH:60]3)[CH2:23][CH2:24]2)[n:17]1)[CH2:25][CH3:26]