HRID188815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID589805

Ethyl 4-isocyanatobenzoate

C10H9NO3

结构：Nc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID11326798

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1

HCID66914066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6686abef72344b1ba9acab58ff0417ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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