Hydrochloric Acid → HCID 178457886, compound

HRID 2325903Notes

Reaction equation

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

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 3283Diethyl Ether

HCID 312751,4-Dioxane

HCID 105803742-[3-(1-tert-butoxycarbonyl-1H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-(4-fluoro-phenyl)-N-isopropyl-acetamide

Product 1

HCID 178457886HCID 178457886, compound

Sources & evidence

ORD record: ord-0d68b4d9b02243b1a5214cec18c37a16
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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