HRID290004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID4586057

Bis(2-methylbutan-2-yl) dicarbonate

C12H22O5

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(COc3ccc(S(C)(=O)=O)cc3)nc2)CC1

HCID44819975

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)OC(=O)N1CCC(c2ccc(COc3ccc(S(C)(=O)=O)cc3)nc2)CC1

HCID67083100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9e6bd7deb6f4457a10ab1ae39613f6e
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:46]([O:47][C:48]([O:49][C:50]([CH2:51][CH3:52])([CH3:53])[CH3:54])=[O:55])([O:56][C:57]([CH2:58][CH3:59])([CH3:60])[CH3:61])=[O:62].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[cH:30][cH:31]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:63][CH2:64][Cl:65].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[OH2:71].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH2:29][CH3:33])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[cH:30][cH:31]1