Hydrochloric Acid → HCID 178492387, compound

HRID 1201685Notes

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:45]3[cH:46][s:47][cH:48][cH:49]3)[c:21]3[c:22]([cH:41][cH:42][cH:43][cH:44]3)[N:23]([CH2:26][C:27](=[O:28])[N:29]([c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[CH:38]([CH3:39])[CH3:40])[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:45]3[cH:46][s:47][cH:48][cH:49]3)[c:21]3[c:22]([cH:41][cH:42][cH:43][cH:44]3)[N:23]([CH2:26][C:27](=[O:28])[N:29]([c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[CH:38]([CH3:39])[CH3:40])[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 676963882-[3-(1-tert-butoxycarbonyl-1H-indazol-3-ylmethyl)-2,4-dioxo-5-thiophen-3-yl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide

Product 1

HCID 178492387HCID 178492387, compound

Sources & evidence

ORD record: ord-a340fdb0555a41248b0eb3c517a7e981
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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