HRID94629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID9321

Hydrazine

H4N2

结构：Cn1ncc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904534

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)CN)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ed4bb872caa4335af24f608375df00c
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

[CH3:45][CH2:46][OH:47].[NH2:2][NH2:3].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[O:4]=[C:5]1[N:6]([CH2:15][C:16](=[O:17])[NH:18][c:19]2[cH:20][n:21][n:22]([CH3:44])[c:23]2[NH:24][C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[C:13](=[O:14])[c:8]2[c:7]1[cH:12][cH:11][cH:10][cH:9]2.[OH2:1]>>[NH2:6][CH2:15][C:16](=[O:17])[NH:18][c:19]1[cH:20][n:21][n:22]([CH3:44])[c:23]1[NH:24][C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1