HRID2329906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID6404

2,2-Dimethylpropanol

C5H12O

结构：CC1NC(C(OCc2ccccc2)C(Cc2cc(F)cc(F)c2)N(Cc2ccccc2)Cc2ccccc2)COC1O

HCID178432975

未命名化合物

PRODUCTS

生成物

结构：CC1NC(C(OCc2ccccc2)C(Cc2cc(F)cc(F)c2)N(Cc2ccccc2)Cc2ccccc2)COC1OCC(C)(C)C

HCID178432976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2d93bb5d4d3455e9cd128eb7bfc5532
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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