HRID184030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID7672

Phenyl isocyanate

C7H5NO

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID597614

4-(Phenylmethyl)benzenemethanol

C14H14O

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCNCC1

HCID18426164

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cc3ccccc3)cc2)CC1

HCID18426246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e76e88dbbe74bc1bbd56bfbf93015b7
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

[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[c:13]1[cH:14][cH:15][c:16]([CH2:17][OH:18])[cH:19][cH:20]1.[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH:54]([Cl:55])([Cl:56])[Cl:57].[F:21][C:22]([c:23]1[cH:24][c:25]([C:26](=[O:27])[NH:28][CH2:29][C:30](=[O:31])[NH:32][CH2:33][CH:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:40][cH:41][cH:42]1)([F:43])[F:44].[O:45]=[C:46]=[N:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[c:13]1[cH:14][cH:15][c:16]([CH2:17][N:37]2[CH2:36][CH2:35][CH:34]([CH2:33][NH:32][C:30]([CH2:29][NH:28][C:26]([c:25]3[cH:24][c:23]([C:22]([F:21])([F:43])[F:44])[cH:42][cH:41][cH:40]3)=[O:27])=[O:31])[CH2:39][CH2:38]2)[cH:19][cH:20]1