Hydrochloric Acid → Hydrochloric Acid

HRID 669529Notes

Reaction equation

HRID 669529 reaction equation
[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][C:9]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)([CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][CH:23]([NH:26][c:27]4[n:28][c:29]5[c:30]([n:31]4[CH2:32][CH2:33][O:34][CH:35]([CH3:36])[CH3:37])[cH:38][cH:39][cH:40][cH:41]5)[CH2:24][CH2:25]3)[CH2:10][CH2:11]2)[cH:42][c:43](-[n:46]2[n:47][n:48][n:49][cH:50]2)[cH:44][cH:45]1.[CH3:61][CH2:62][O:63][CH2:64][CH3:65].[Cl:51][CH2:52][Cl:53].[ClH:54].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][C:9]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)([CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][CH:23]([NH:26][c:27]4[n:28][c:29]5[c:30]([n:31]4[CH2:32][CH2:33][O:34][CH:35]([CH3:36])[CH3:37])[cH:38][cH:39][cH:40][cH:41]5)[CH2:24][CH2:25]3)[CH2:10][CH2:11]2)[cH:42][c:43](-[n:46]2[n:47][n:48][n:49][cH:50]2)[cH:44][cH:45]1.[ClH:51]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 98746781-(2-methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-(2-(4-(1-(2-(isopropyloxy)ethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Product 2

HCID 313Hydrochloric AcidHCID 98746781-(2-methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-(2-(4-(1-(2-(isopropyloxy)ethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-6030d727c0e44cdbaab07fe7b06b71c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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