HRID699304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1

HCID21460671

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(C(=O)N(C)C(Cc2ccc(-c3ccno3)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1

HCID21460616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e19455dbb609489cb9d64e074f1866d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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