Hydrochloric Acid → HCID 9868697, compound

HRID 167162Notes

Reaction equation

[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:32][cH:33]1)[CH:6]([CH2:27][C:28](=[O:29])[O:30][CH3:31])[CH2:7][CH2:8][N:9]([C:11]([NH:12][CH2:13][CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]3[c:20]([n:21]1)[NH:22][CH2:23][CH2:24][CH2:25]3)=[O:26])[CH2:10]2.[ClH:37].[Li+:36].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:35].[OH2:34].[OH2:43]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:32][cH:33]1)[CH:6]([CH2:27][C:28](=[O:29])[OH:30])[CH2:7][CH2:8][N:9]([C:11]([NH:12][CH2:13][CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]3[c:20]([n:21]1)[NH:22][CH2:23][CH2:24][CH2:25]3)=[O:26])[CH2:10]2

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 961Hydroxide

HCID 962Water2×

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 69157953methyl 2-{8-chloro-2-[N-(3-(1,2,3,4-tetrahydropyridino[2,3-b]pyridin-7-yl)propyl)carbamoyl]-1H,3H,4H,5H-benzo[e]azepin-5-yl}acetate

Product 1

HCID 9868697HCID 9868697, compound

Sources & evidence

ORD record: ord-341a4cebd7cd4f979a9076d4967c9825
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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