Hydrochloric Acid → HCID 136128409, compound

HRID 291045Notes

Reaction equation

HRID 291045 reaction equation
[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cl:16][c:17]1[cH:18][cH:19][c:20]2[c:21]([cH:52]1)[NH:22][c:23]1[n:24]([CH3:51])[n:25][cH:26][c:27]1[CH2:28][N:29]2[C:30](=[O:31])[c:32]1[c:33]([CH3:50])[cH:34][c:35]([CH2:36][NH:37][C:38]([CH2:39][CH2:40][CH:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)=[O:47])[cH:48][cH:49]1.[Cl:1][C:2](=[O:3])[O:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1.[Cl:53][CH2:54][Cl:55].[ClH:15]>>[C:2](=[O:3])([O:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1)[N:44]1[CH2:43][CH2:42][CH:41]([CH2:40][CH2:39][C:38]([NH:37][CH2:36][c:35]2[cH:34][c:33]([CH3:50])[c:32]([C:30]([N:29]3[c:20]4[cH:19][cH:18][c:17]([Cl:16])[cH:52][c:21]4[NH:22][c:23]4[n:24]([CH3:51])[n:25][cH:26][c:27]4[CH2:28]3)=[O:31])[cH:49][cH:48]2)=[O:47])[CH2:46][CH2:45]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 782054-Nitrobenzyl chloroformateHCID 136128362HCID 136128362, compound

Product 1

HCID 136128409HCID 136128409, compound

Sources & evidence

ORD record
ord-09cbf645189749329eb9fad790bb3914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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