Acetic Acid → HCID 136186312, compound

HRID 1574274Notes

Reaction equation

HRID 1574274 reaction equation
[BH4-:38].[CH2:33]1[CH2:34][CH2:35][NH:36][CH2:37]1.[CH3:29][C:30](=[O:31])[OH:32].[Cl:40][CH2:41][Cl:42].[Na+:39].[O:1]=[c:2]1[nH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[NH:12][CH:13]([c:21]1[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]1)[CH:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[O:1]=[c:2]1[nH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[NH:12][CH:13]([c:21]1[cH:22][cH:23][c:24]([CH2:25][N:36]3[CH2:35][CH2:34][CH2:33][CH2:37]3)[cH:27][cH:28]1)[CH:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

7

Sources & evidence

ORD record
ord-9a62e4b6e3b84a1d8995b329e5eea290
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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