HRID1132500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1

HCID3038517

Sufugolix

C36H31F2N5O4S

PRODUCTS

生成物

结构：CONC(=O)Nc1ccc(-c2sc3c(c2CCl)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1

HCID18324813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86ac02b56b6e420ea939502c8a8db26f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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