Benzoic Acid → HCID 59674098, compound

HRID 1215836Notes

Reaction equation

HRID 1215836 reaction equation
[C:10]([n:11]1[cH:12][cH:13][n:14][cH:15]1)([n:16]1[cH:17][cH:18][n:19][cH:20]1)=[O:21].[CH3:22][N:23]([c:24]1[cH:25][c:26]2[c:27]([n:28]([CH3:32])[c:29]([NH2:31])[n:30]2)[cH:33][cH:34]1)[c:35]1[n:36][c:37]([NH:41][c:42]2[cH:43][cH:44][c:45]([CH2:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:46][cH:47]2)[n:38][cH:39][cH:40]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:31][c:29]1[n:28]([CH3:32])[c:27]2[c:26]([cH:25][c:24]([N:23]([CH3:22])[c:35]3[n:36][c:37]([NH:41][c:42]4[cH:43][cH:44][c:45]([CH2:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:46][cH:47]4)[n:38][cH:39][cH:40]3)[cH:34][cH:33]2)[n:30]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 682631,1'-CarbonyldiimidazoleHCID 59674094HCID 59674094, compound

Product 1

HCID 59674098HCID 59674098, compound

Sources & evidence

ORD record
ord-5e26dc5e3ebf4db5b30715b962e60145
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…