HRID2155634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10198829

未命名化合物

结构：COC(=O)c1cc(C)c(C(O)c2cc(-n3ccnc3)ccc2C)c(C)c1

HCID10882640

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C)c(C(OC(=O)C(C)c2ccc3cc(OC)ccc3c2)c2cc(-n3ccnc3)ccc2C)c(C)c1

HCID15888206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-223760ee6def427d8f7ec1db514686b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:33][O:34][c:35]1[cH:36][c:37]2[cH:38][cH:39][c:40]([CH:45]([C:46](=[O:47])[Cl:48])[CH3:49])[cH:41][c:42]2[cH:43][cH:44]1.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[OH2:50].[OH:1][CH:2]([c:3]1[c:4]([CH3:14])[cH:5][cH:6][c:7](-[n:9]2[cH:10][n:11][cH:12][cH:13]2)[cH:8]1)[c:15]1[c:16]([CH3:26])[cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][c:24]1[CH3:25].[cH:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1>>[O:1]([CH:2]([c:3]1[c:4]([CH3:14])[cH:5][cH:6][c:7](-[n:9]2[cH:10][n:11][cH:12][cH:13]2)[cH:8]1)[c:15]1[c:16]([CH3:26])[cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][c:24]1[CH3:25])[C:46]([CH:45]([c:40]1[cH:39][cH:38][c:37]2[cH:36][c:35]([O:34][CH3:33])[cH:44][cH:43][c:42]2[cH:41]1)[CH3:49])=[O:47]