HRID2157462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID81325

Benzoic acid, 4-(hydroxymethyl)-, methyl ester

C9H10O3

结构：CC(C)(C)CC1CNC(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID67336394

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(COC(=O)N2CC(CC(C)(C)C)C3(C(=O)Nc4cc(Cl)ccc43)C2c2cccc(Cl)c2F)cc1

HCID67337493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f7eec119dbf48c78a55aeb2702c79f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:13][C:14]([Cl:15])=[O:16].[Cl:17][c:18]1[cH:19][cH:20][c:21]2[c:25]([cH:26]1)[NH:24][C:23](=[O:27])[C:22]21[CH:28]([c:37]2[c:38]([F:44])[c:39]([Cl:43])[cH:40][cH:41][cH:42]2)[NH:29][CH2:30][CH:31]1[CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12]1)[C:14](=[O:16])[N:29]1[CH:28]([c:37]2[c:38]([F:44])[c:39]([Cl:43])[cH:40][cH:41][cH:42]2)[C:22]2([c:21]3[cH:20][cH:19][c:18]([Cl:17])[cH:26][c:25]3[NH:24][C:23]2=[O:27])[CH:31]([CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:30]1