HRID301157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)CC=C1CCC2(CC1)SC(CC(=O)OC(C)(C)C)C(=O)N2CCC(=O)O

HCID22467131

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC=C1CCC2(CC1)SC(CC(=O)OC(C)(C)C)C(=O)N2CCC(=O)OCc1ccccc1

HCID22467147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1251ab6e7ac24191b4040303d6ceb2c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]1[S:9][C:10]2([N:11]([CH2:14][CH2:15][C:16](=[O:17])[OH:18])[C:12]1=[O:13])[CH2:19][CH2:20][C:21](=[CH:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH2:22][CH2:23]2)=[O:29].[CH2:64]([Cl:65])[Cl:66].[CH:49]1([N:50]=[C:51]=[N:52][CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:38].[OH:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]1[S:9][C:10]2([N:11]([CH2:14][CH2:15][C:16](=[O:17])[O:18][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[C:12]1=[O:13])[CH2:19][CH2:20][C:21](=[CH:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH2:22][CH2:23]2)=[O:29]