HRID941731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID10387

Benzyl chloroformate

C8H7ClO2

结构：CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CCCCN2Cc2ccccc2)CC1

HCID59322446

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CCCCN2C(=O)OCc2ccccc2)CC1

HCID59322405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-982e72b481e14daeb3a40d1d5ccbbc11
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15]([CH2:30][CH:31]3[N:32]([CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[CH2:33][CH2:34][CH2:35][CH2:36]3)[cH:16][c:17](-[c:19]3[cH:20][c:21]([C:26]([F:27])([F:28])[F:29])[c:22]([F:25])[cH:23][cH:24]3)[n:18]2)[CH2:12][CH2:13]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:44][C:45](=[O:46])[O:47][CH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15]([CH2:30][CH:31]3[N:32]([C:45](=[O:46])[O:47][CH2:48][c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[CH2:33][CH2:34][CH2:35][CH2:36]3)[cH:16][c:17](-[c:19]3[cH:20][c:21]([C:26]([F:27])([F:28])[F:29])[c:22]([F:25])[cH:23][cH:24]3)[n:18]2)[CH2:12][CH2:13]1