Hydrochloric Acid → HCID 16039217, compound

HRID 2311463Notes

Reaction equation

[CH2:39]1[CH:40]([NH2:48])[CH2:41][c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]21.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([O:34][CH3:35])[c:24](-[c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)([Cl:36])[Cl:37].[ClH:38]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([O:34][CH3:35])[c:24](-[c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)[NH:48][CH:40]1[CH2:39][c:47]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[CH2:41]1

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 8471Triethylamine

HCID 763102-Aminoindane

HCID 160388252,2,2-Trichloro-1-{10-[(2-methoxy-2'-methyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

Product 1

HCID 16039217HCID 16039217, compound

Sources & evidence

ORD record: ord-eb53675152e34a9292d67f58c37c2401
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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