HRID200487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4)ncnc32)CC1

HCID53257683

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4)ncnc32)CC1

HCID44469819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c59fd4d746d84264b8ced9f68a7296fd
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[O:23][c:24]2[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:28][cH:29]2)[CH2:12][CH2:13]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:41][C:42]([O:43][CH:44]([CH3:45])[CH3:46])=[O:47].[Cl:62][CH2:63][Cl:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH:55][C:56]([C:57]([F:58])([F:59])[F:60])=[O:61]>>[CH:1]([CH3:2])([CH3:3])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[O:23][c:24]2[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:28][cH:29]2)[CH2:12][CH2:13]1