HRID835665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID821052

5,6,7-Trimethoxy-1H-indole-2-carboxylic acid

C12H13NO5

结构：CC(C)(C)OP(=O)(OCCNS(=O)(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)NCC3CCl)OC(C)(C)C

HCID54762391

未命名化合物

PRODUCTS

生成物

结构：COc1cc2cc(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3cc(S(=O)(=O)NCCOP(=O)(OC(C)(C)C)OC(C)(C)C)ccc43)[nH]c2c(OC)c1OC

HCID68691667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ed42deb3381454083c6d34ce89b9fae
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:38][O:39][c:40]1[cH:41][c:42]2[cH:43][c:44]([C:53](=[O:54])[OH:55])[nH:45][c:46]2[c:47]([O:51][CH3:52])[c:48]1[O:49][CH3:50].[CH3:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66].[CH3:67][c:68]1[cH:69][cH:70][c:71]([S:72]([OH:73])(=[O:74])=[O:75])[cH:76][cH:77]1.[Na+:82].[O-:78][C:79]([OH:80])=[O:81].[P:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[O:13][CH2:14][CH2:15][NH:16][S:17](=[O:18])(=[O:19])[c:20]1[cH:21][c:22]2[c:23]([c:24]3[c:28]([cH:29][c:30]2[N+:31](=[O:32])[O-:33])[NH:27][CH2:26][CH:25]3[CH2:34][Cl:35])[cH:36][cH:37]1>>[P:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[O:13][CH2:14][CH2:15][NH:16][S:17](=[O:18])(=[O:19])[c:20]1[cH:21][c:22]2[c:23]([c:24]3[c:28]([cH:29][c:30]2[N+:31](=[O:32])[O-:33])[N:27]([C:53]([c:44]2[cH:43][c:42]4[cH:41][c:40]([O:39][CH3:38])[c:48]([O:49][CH3:50])[c:47]([O:51][CH3:52])[c:46]4[nH:45]2)=[O:54])[CH2:26][CH:25]3[CH2:34][Cl:35])[cH:36][cH:37]1