HRID2348797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7412

Benzoyl chloride

C7H5ClO

HCID76639

Benzyl isocyanate

C8H7NO

结构：O=C(NS(=O)(=O)N(Cc1ccccc1)CC1CCC(COC(=O)c2ccccc2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID22574465

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1)OCC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID22574464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29227d0446d248e196e92f1461a2f805
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH2:10][CH:11]1[CH2:12][CH2:13][CH:14]([CH2:17][N:18]([S:19](=[O:20])(=[O:21])[NH:22][C:23]([c:24]2[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)=[O:38])[CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:15][CH2:16]1.[C:56]([Cl:57])(=[O:58])[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH2:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[N:53]=[C:54]=[O:55]>>[C:1](=[O:8])([O:9][CH2:10][CH:11]1[CH2:12][CH2:13][CH:14]([CH2:17][N:18]([S:19](=[O:20])(=[O:21])[NH:22][C:23]([c:24]2[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)=[O:38])[CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:15][CH2:16]1)[NH:53][CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1