HRID1568515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cnc3F)n2)cc1

HCID66611395

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N4CCN(S(C)(=O)=O)CC4)cnc3F)n2)cc1

HCID66611478

4-[2-fluoro-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

C32H38FN7O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4879b5cd35b4852b66d4f4a96b900f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:56](=[O:57])([OH:58])[O-:59].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:68][S:69]([Cl:70])(=[O:71])=[O:72].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[n:17][c:18](-[c:23]3[cH:24][c:25]([CH:30]([CH3:31])[N:32]4[CH2:33][CH2:34][N:35]([C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:36][CH2:37]4)[cH:26][n:27][c:28]3[F:29])[n:19][c:20]([CH3:22])[n:21]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[cH:54][cH:55]1.[Cl:73][CH2:74][Cl:75].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:60].[OH2:76]>>[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[n:17][c:18](-[c:23]3[cH:24][c:25]([CH:30]([CH3:31])[N:32]4[CH2:33][CH2:34][N:35]([S:69]([CH3:68])(=[O:71])=[O:72])[CH2:36][CH2:37]4)[cH:26][n:27][c:28]3[F:29])[n:19][c:20]([CH3:22])[n:21]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[cH:54][cH:55]1