Acetic Acid → HCID 59589519, compound

HRID 1147984Notes

Reaction equation

HRID 1147984 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[CH3:45][OH:46].[Cl:36][c:37]1[cH:38][c:39]([CH:40]=[O:41])[cH:42][cH:43][cH:44]1.[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][c:12]3[n:13]2[n:14][c:15]([NH:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][N:27]4[CH2:28][CH2:29][CH2:30][CH2:31]4)[cH:22][cH:23]2)[n:16]3)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][c:12]3[n:13]2[n:14][c:15]([NH:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][N:27]4[CH2:28][CH2:29][CH2:30][CH2:31]4)[cH:22][cH:23]2)[n:16]3)[cH:6][cH:7]1)[CH2:40][c:39]1[cH:38][c:37]([Cl:36])[cH:44][cH:43][cH:42]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 114773-ChlorobenzaldehydeHCID 68705150HCID 68705150, compound

Product 1

HCID 59589519HCID 59589519, compound

Sources & evidence

ORD record
ord-dce02960b45e4a5e86cccd5806af0608
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…