HRID169439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID593258

2,4-Difluorophenyl isocyanate

C7H3F2NO

结构：COc1cc2c(Oc3ccc(N)c(C)c3C)ccnc2cc1OCc1ccccc1

HCID22667150

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(C)c3C)ccnc2cc1OCc1ccccc1

HCID22667195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92cf81d061bc4d45a946a92bd68ab2d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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