HRID89545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID5126

2-Amino-1-propanol

C3H9NO

HCID79873

1,3,4,6,7,8-Hexahydro-2H-pyrimido(1,2-a)pyrimidine

C7H13N3

结构：COC(=O)c1cc(OCc2c(-c3ccccn3)noc2C)n(C)n1

HCID66646333

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccn2)c1COc1cc(C(=O)NC(C)CO)nn1C

HCID49793161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d5631ebdb494966b43eabdc1cb171ea
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

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]([CH3:24])[c:8]([O:10][CH2:11][c:12]2[c:13](-[c:18]3[n:19][cH:20][cH:21][cH:22][cH:23]3)[n:14][o:15][c:16]2[CH3:17])[cH:9]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[N:30]12[CH2:31][CH2:32][CH2:33][NH:34][C:35]1=[N:36][CH2:37][CH2:38][CH2:39]2.[NH2:25][CH:26]([CH3:27])[CH2:28][OH:29]>>[C:3](=[O:4])([c:5]1[n:6][n:7]([CH3:24])[c:8]([O:10][CH2:11][c:12]2[c:13](-[c:18]3[n:19][cH:20][cH:21][cH:22][cH:23]3)[n:14][o:15][c:16]2[CH3:17])[cH:9]1)[NH:25][CH:26]([CH3:27])[CH2:28][OH:29]