Hydrochloric Acid → (+/-)-4-Oxo-2-pyridin-4-yl-9-[(1,2,3,4-tetrahydro-isoquinoline-7-carbonyl)-amino]-5,6,8,9-tetrahydro-4H-1,4a,7-triaza-benzocycloheptene-7-carboxylic acid ethyl ester

HRID 304036Notes

Reaction equation

HRID 304036 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][n:9]2[c:10]([n:33][c:34](-[c:38]3[cH:39][cH:40][n:41][cH:42][cH:43]3)[cH:35][c:36]2=[O:37])[CH:11]([NH:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][c:19]3[c:24]([cH:25]2)[CH2:23][N:22]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:21][CH2:20]3)[CH2:12]1.[Cl:45][CH2:46][Cl:47].[ClH:44]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][n:9]2[c:10]([n:33][c:34](-[c:38]3[cH:39][cH:40][n:41][cH:42][cH:43]3)[cH:35][c:36]2=[O:37])[CH:11]([NH:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][c:19]3[c:24]([cH:25]2)[CH2:23][NH:22][CH2:21][CH2:20]3)[CH2:12]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 44159005HCID 44159005, compound

Product 1

HCID 44159256(+/-)-4-Oxo-2-pyridin-4-yl-9-[(1,2,3,4-tetrahydro-isoquinoline-7-carbonyl)-amino]-5,6,8,9-tetrahydro-4H-1,4a,7-triaza-benzocycloheptene-7-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-276d4ae2f384454690171a8be26a79b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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