Hydroxide → HCID 68793468, compound

HRID 187696Notes

Reaction equation

HRID 187696 reaction equation
[CH2:53]([O:54][CH2:55][CH3:56])[CH3:57].[CH3:3][CH:4]([CH2:5][CH2:6][N:7]([C:8](=[O:9])[c:10]1[cH:11][cH:12][c:13]2[c:14]([n:15]([CH2:29][CH2:30][CH2:31][NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[c:16]([NH:18][c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]3)[n:17]2)[cH:40]1)[CH2:41][CH2:42][CH:43]([CH3:44])[CH3:45])[CH3:46].[Li+:1].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:2].[OH2:52]>>[CH3:3][CH:4]([CH2:5][CH2:6][N:7]([C:8](=[O:9])[c:10]1[cH:11][cH:12][c:13]2[c:14]([n:15]([CH2:29][CH2:30][CH2:31][NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[c:16]([NH:18][c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:27][cH:28]3)[n:17]2)[cH:40]1)[CH2:41][CH2:42][CH:43]([CH3:44])[CH3:45])[CH3:46]

Participants

7

Reactant 6

HCID 961HydroxideHCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68792031methyl 4-[(6-{[bis(3-methylbutyl)amino]carbonyl}-1-{3-[(tert-butoxycarbonyl) amino]propyl}-1H-benzimidazol-2-yl)amino]benzoate

Product 1

HCID 68793468HCID 68793468, compound

Sources & evidence

ORD record
ord-aa9d98df33654f6d9ca1875b80442204
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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